4-[5-(5-Dimethylaminomethyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-2,6-dimethyl-phenol
Basic information
- Standard SMILES
Cc1cc(-c2noc(-c3ccc(CN(C)C)s3)n2)cc(C)c1O- InChIKey
WGKVHJBRDPXQSZ-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2S
- Average molar mass
- 329.4 g/mol
Names & identifiers
- Preferred name
- 4-[5-(5-Dimethylaminomethyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-2,6-dimethyl-phenol
- IUPAC
- 4-[5-[5-[(dimethylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol
Names & synonyms
SCHEMBL2064711WGKVHJBRDPXQSZ-UHFFFAOYSA-N4-[5-(5-Dimethylaminomethyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-2,6-dimethyl-phenol
Database identifiers
- PubChem CID
- 136355288
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 386
Related reactions
2 records
Compound notes
Loading…